2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

C13H15BrN2S — CID 105139215

IUPAC2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2cc(Br)cs2)c(C)n1
InChIInChI=1S/C13H15BrN2S/c1-8-3-4-12(9(2)16-8)13(15)6-11-5-10(14)7-17-11/h3-5,7,13H,6,15H2,1-2H3
InChIKeyNKFBYSPOEDDFKB-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (PubChem CID 105139215) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
PubChem CID105139215
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2cc(Br)cs2)c(C)n1
InChIInChI=1S/C13H15BrN2S/c1-8-3-4-12(9(2)16-8)13(15)6-11-5-10(14)7-17-11/h3-5,7,13H,6,15H2,1-2H3
InChIKeyNKFBYSPOEDDFKB-UHFFFAOYSA-N
XLogP3.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
CID 62601265
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
CID 63222511

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (CID 105139215) is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is Cc1ccc(C(N)Cc2cc(Br)cs2)c(C)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The InChIKey is NKFBYSPOEDDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-8-3-4-12(9(2)16-8)13(15)6-11-5-10(14)7-17-11/h3-5,7,13H,6,15H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105139215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).